#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x n GLU 71 N 0.00 0.00 -0.37 0.03 -0.58 -1.19 -4.05 120.64 114.48 1a6x n GLU 71 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1a6x n GLU 71 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x h ALA 72 N 0.00 0.09 0.11 0.62 0.00 -2.02 -2.85 119.26 115.20 1a6x h ALA 72 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a6x h ALA 72 Cb 0.00 1.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a6x h ALA 72 CO 0.00 -0.66 -0.05 -1.00 0.00 0.00 0.00 179.25 177.54 1a6x h PRO 73 N -0.02 -0.14 0.00 0.00 0.13 -2.05 -3.49 132.00 126.43 1a6x h PRO 73 Ca 0.32 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1a6x h PRO 73 Cb 0.58 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1a6x h PRO 73 CO -0.96 -0.09 0.00 0.00 -0.23 0.00 0.00 178.00 176.72 1a6x n ALA 74 N -2.31 0.00 -1.51 -0.56 0.00 -1.08 -5.12 120.51 109.93 1a6x n ALA 74 Ca -0.02 0.00 -0.59 0.00 0.00 0.00 0.00 53.44 52.84 1a6x n ALA 74 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 75 N 0.00 -3.49 -0.04 0.00 0.00 -1.26 -4.56 120.51 111.16 1a6x n ALA 75 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 53.44 54.00 1a6x n ALA 75 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 76 N 1.56 0.34 -3.15 0.00 0.00 -1.26 -3.16 120.51 114.84 1a6x n ALA 76 Ca 0.20 -0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.26 1a6x n ALA 76 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a6x s GLU 77 N -1.77 0.44 -1.46 0.00 -1.05 -1.26 -4.61 118.70 108.98 1a6x s GLU 77 Ca -0.11 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 1a6x s GLU 77 Cb 0.02 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1a6x s GLU 77 CO 0.16 -0.51 0.00 -0.89 0.95 0.00 0.00 175.26 174.98 1a6x n ILE 78 N 5.44 -0.07 0.00 1.83 -0.00 -1.26 -2.14 119.36 123.16 1a6x n ILE 78 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 1a6x n ILE 78 Cb 0.52 -1.41 0.00 0.00 -0.00 0.00 0.00 39.64 38.75 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1a6x n SER 79 N -0.73 0.00 -4.09 4.38 2.88 -1.26 -4.95 113.62 109.85 1a6x n SER 79 Ca -0.14 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.03 1a6x n SER 79 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 80 N 0.00 -3.02 2.70 0.46 0.00 -0.91 -4.73 105.19 99.69 1a6x n GLY 80 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1a6x n GLY 80 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a6x s HIS 81 N -2.08 0.11 -0.33 1.61 -3.43 0.14 -4.12 115.29 107.18 1a6x s HIS 81 Ca 0.43 0.19 -0.20 0.00 -0.80 0.00 0.00 55.06 54.68 1a6x s HIS 81 Cb 0.00 -0.45 -0.00 0.00 -1.43 0.00 0.00 32.58 30.69 1a6x s HIS 81 CO 0.68 -0.18 0.62 0.42 -2.00 0.00 0.00 174.74 174.29 1a6x s ILE 82 N 1.90 4.92 -0.26 -5.38 1.09 -1.26 -0.37 121.20 121.84 1a6x s ILE 82 Ca 0.02 0.71 -0.29 0.00 -1.10 0.00 0.00 60.65 59.99 1a6x s ILE 82 Cb -0.12 -4.03 0.00 0.00 -1.06 0.00 0.00 42.46 37.25 1a6x s ILE 82 CO -0.03 -0.22 1.21 -0.69 -0.10 0.00 0.00 174.94 175.11 1a6x s VAL 83 N 2.64 4.33 -0.26 2.92 1.01 0.45 -4.90 120.40 126.60 1a6x s VAL 83 Ca 0.24 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 1a6x s VAL 83 Cb -0.15 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1a6x s VAL 83 CO 0.13 -0.34 0.24 -0.13 0.00 0.00 0.00 175.10 175.00 1a6x s ARG 84 N 3.73 4.03 -0.95 2.72 0.52 -1.26 0.19 118.95 127.93 1a6x s ARG 84 Ca 0.52 -0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 55.27 1a6x s ARG 84 Cb -0.17 -3.61 -0.21 0.00 0.52 0.00 0.00 34.95 31.48 1a6x s ARG 84 CO 0.17 -0.11 2.55 0.45 0.02 0.00 0.00 175.30 178.38 1a6x n SER 85 N 4.80 0.20 0.00 0.23 2.88 0.13 -4.67 113.62 117.19 1a6x n SER 85 Ca -0.13 0.14 0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1a6x n SER 85 Cb 0.52 -0.86 0.70 0.00 -0.75 0.00 0.00 64.21 63.82 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6x n PRO 86 N 7.97 0.75 -3.54 -1.46 -0.04 -1.26 -3.84 135.00 133.58 1a6x n PRO 86 Ca 0.63 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 64.07 1a6x n PRO 86 Cb 0.03 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 1a6x n PRO 86 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.00 0.53 0.38 0.54 -1.94 -1.26 -5.03 119.30 110.52 1a6x s MET 87 Ca 0.35 1.27 -0.28 0.00 -1.71 0.00 0.00 55.69 55.33 1a6x s MET 87 Cb 0.16 0.68 -0.11 0.00 2.01 0.00 0.00 34.83 37.57 1a6x s MET 87 CO 0.27 -0.31 1.48 0.08 -0.01 0.00 0.00 175.02 176.54 1a6x s VAL 88 N 2.83 2.07 0.00 -6.03 1.01 -1.26 -4.68 120.40 114.34 1a6x s VAL 88 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1a6x s VAL 88 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1a6x s VAL 88 CO -0.18 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1a6x n GLY 89 N 0.47 -0.38 3.39 4.51 0.00 -0.52 -4.70 105.19 107.95 1a6x n GLY 89 Ca 0.01 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1a6x n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 90 N 0.00 1.06 -0.01 2.61 2.01 0.00 -0.38 115.64 120.93 1a6x s THR 90 Ca 0.00 -2.02 -0.01 0.00 0.31 0.00 0.00 61.69 59.97 1a6x s THR 90 Cb 0.00 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.90 1a6x s THR 90 CO 0.00 -0.11 0.03 0.12 -0.69 0.00 0.00 174.62 173.96 1a6x s PHE 91 N -3.40 -0.03 0.18 4.92 2.19 0.05 -0.18 117.98 121.72 1a6x s PHE 91 Ca 0.34 0.07 0.04 0.00 0.33 0.00 0.00 56.93 57.71 1a6x s PHE 91 Cb 0.07 0.00 -0.05 0.00 -1.31 0.00 0.00 43.02 41.74 1a6x s PHE 91 CO 0.13 -0.02 -0.07 0.71 1.83 0.00 0.00 175.22 177.81 1a6x s TYR 92 N 0.06 1.42 -0.33 10.12 2.02 0.57 -0.00 117.35 131.20 1a6x s TYR 92 Ca -0.00 -0.81 0.11 0.00 -0.37 0.00 0.00 57.07 56.00 1a6x s TYR 92 Cb -0.01 -0.76 -0.14 0.00 -0.40 0.00 0.00 41.96 40.65 1a6x s TYR 92 CO -0.00 0.06 0.38 0.54 -1.57 0.00 0.00 175.55 174.96 1a6x n ARG 93 N -0.30 2.25 -4.20 -0.62 5.12 -1.26 -1.47 116.66 116.18 1a6x n ARG 93 Ca -0.08 -0.04 -0.15 0.00 -1.93 0.00 0.00 57.85 55.65 1a6x n ARG 93 Cb 0.62 -1.11 -0.11 0.00 -1.16 0.00 0.00 32.46 30.70 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a6x s THR 94 N -2.31 1.07 0.02 0.55 -4.23 -1.26 -1.31 115.64 108.17 1a6x s THR 94 Ca 0.01 -1.69 0.19 0.00 -1.18 0.00 0.00 61.69 59.02 1a6x s THR 94 Cb 0.08 -1.44 0.15 0.00 1.34 0.00 0.00 72.50 72.62 1a6x s THR 94 CO 0.46 -0.53 1.66 1.55 -0.54 0.00 0.00 174.62 177.21 1a6x h PRO 95 N 3.49 0.00 -4.25 3.99 0.13 -1.89 -3.46 132.00 130.00 1a6x h PRO 95 Ca -0.38 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1a6x h PRO 95 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 95 CO 0.53 0.36 -0.34 -1.12 -0.23 0.00 0.00 178.00 177.20 1a6x s SER 96 N -6.36 0.57 0.11 1.44 0.01 -1.26 -5.06 113.70 103.16 1a6x s SER 96 Ca 0.02 -1.37 -0.09 0.00 1.31 0.00 0.00 55.95 55.83 1a6x s SER 96 Cb 0.09 0.55 -0.13 0.00 0.21 0.00 0.00 66.02 66.75 1a6x s SER 96 CO 0.69 -1.10 1.29 1.55 0.41 0.00 0.00 173.24 176.08 1a6x h PRO 97 N 2.29 0.58 -1.42 12.44 0.13 -1.99 -3.24 132.00 140.80 1a6x h PRO 97 Ca -0.29 -0.57 -0.68 0.00 -0.87 0.00 0.00 66.00 63.58 1a6x h PRO 97 Cb 1.24 0.15 -0.32 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 97 CO 0.42 1.19 0.50 -3.47 -0.23 0.00 0.00 178.00 176.40 1a6x n ASP 98 N -3.83 6.85 -4.21 1.44 4.64 -1.26 -4.95 116.55 115.22 1a6x n ASP 98 Ca -0.08 -3.79 -0.17 0.00 -1.38 0.00 0.00 54.79 49.37 1a6x n ASP 98 Cb 0.81 -0.85 -0.11 0.00 -1.04 0.00 0.00 41.12 39.92 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1a6x s ALA 99 N -3.85 1.33 1.00 -1.67 0.00 -1.23 -5.14 121.76 112.20 1a6x s ALA 99 Ca 0.56 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1a6x s ALA 99 Cb 0.45 -0.06 0.19 0.00 0.00 0.00 0.00 23.12 23.71 1a6x s ALA 99 CO -0.18 0.08 1.08 0.15 0.00 0.00 0.00 175.76 176.89 1a6x s LYS 100 N -2.48 0.39 0.08 0.00 3.01 -1.26 -4.81 119.74 114.66 1a6x s LYS 100 Ca 0.06 0.85 -0.30 0.00 -1.01 0.00 0.00 55.97 55.57 1a6x s LYS 100 Cb -0.06 -1.71 -0.05 0.00 -1.01 0.00 0.00 37.83 35.01 1a6x s LYS 100 CO 0.02 -2.85 0.99 0.00 0.51 0.00 0.00 175.35 174.02 1a6x s ALA 101 N -2.76 3.23 0.28 5.17 0.00 -1.26 -4.48 121.76 121.95 1a6x s ALA 101 Ca 0.66 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.24 1a6x s ALA 101 Cb -0.21 -3.31 0.66 0.00 0.00 0.00 0.00 23.12 20.26 1a6x s ALA 101 CO 0.59 -0.12 1.74 0.74 0.00 0.00 0.00 175.76 178.72 1a6x h PHE 102 N 5.99 0.82 -3.28 0.00 0.04 -1.55 -3.36 116.94 115.59 1a6x h PHE 102 Ca -0.42 0.04 -0.51 0.00 2.80 0.00 0.00 57.97 59.88 1a6x h PHE 102 Cb 1.21 -0.22 -0.39 0.00 2.20 0.00 0.00 35.95 38.76 1a6x h PHE 102 CO 0.66 0.12 -0.78 0.96 -0.60 0.00 0.00 178.31 178.67 1a6x s ILE 103 N -5.91 0.70 -0.32 -0.55 -5.25 -1.26 -4.92 121.20 103.69 1a6x s ILE 103 Ca -0.12 -0.37 -0.23 0.00 -0.99 0.00 0.00 60.65 58.94 1a6x s ILE 103 Cb 0.24 -0.97 0.00 0.00 2.95 0.00 0.00 42.46 44.68 1a6x s ILE 103 CO 0.79 0.06 0.74 -1.83 -1.79 0.00 0.00 174.94 172.91 1a6x s GLU 104 N 1.81 3.89 -0.48 0.37 -1.05 -1.26 -4.96 118.70 117.02 1a6x s GLU 104 Ca 0.02 0.43 -0.45 0.00 -0.15 0.00 0.00 54.97 54.82 1a6x s GLU 104 Cb -0.15 -3.75 -0.19 0.00 -0.44 0.00 0.00 34.13 29.60 1a6x s GLU 104 CO -0.07 -0.70 1.80 0.28 0.95 0.00 0.00 175.26 177.52 1a6x n VAL 105 N 5.56 0.02 0.00 1.83 0.31 -1.26 -1.32 118.33 123.47 1a6x n VAL 105 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1a6x n VAL 105 Cb 0.48 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1a6x n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 106 N 5.19 1.49 3.62 2.92 0.00 -1.26 -5.10 105.19 112.05 1a6x n GLY 106 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 1a6x n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 107 N -0.15 1.97 0.36 1.61 0.74 -0.44 -5.01 119.66 118.74 1a6x s GLN 107 Ca 0.00 -2.13 0.08 0.00 0.05 0.00 0.00 55.36 53.35 1a6x s GLN 107 Cb 0.00 -1.56 -0.03 0.00 1.10 0.00 0.00 33.01 32.51 1a6x s GLN 107 CO 0.00 -0.10 0.24 0.15 -0.55 0.00 0.00 175.29 175.03 1a6x s LYS 108 N -3.74 2.51 -0.04 1.67 1.02 -1.26 -3.35 119.74 116.54 1a6x s LYS 108 Ca 0.31 -1.49 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 1a6x s LYS 108 Cb 0.09 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1a6x s LYS 108 CO 0.16 0.03 0.11 0.14 -0.92 0.00 0.00 175.35 174.87 1a6x s VAL 109 N -2.41 -0.01 0.02 3.17 -7.23 0.28 -4.99 120.40 109.24 1a6x s VAL 109 Ca 0.41 0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.68 1a6x s VAL 109 Cb -0.03 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 1a6x s VAL 109 CO 0.25 0.01 -0.22 0.21 -0.31 0.00 0.00 175.10 175.04 1a6x s ASN 110 N 0.23 3.45 -0.52 4.85 2.47 -1.26 -0.85 114.94 123.30 1a6x s ASN 110 Ca -0.01 -0.47 -0.43 0.00 0.42 0.00 0.00 52.86 52.37 1a6x s ASN 110 Cb -0.02 -0.47 -0.19 0.00 -1.45 0.00 0.00 41.25 39.12 1a6x s ASN 110 CO -0.01 0.28 2.17 0.55 -3.72 0.00 0.00 177.10 176.37 1a6x n VAL 111 N 1.89 0.01 0.00 -5.21 3.14 -1.26 0.51 118.33 117.41 1a6x n VAL 111 Ca -0.17 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.52 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a6x n GLY 112 N 7.42 1.75 3.78 7.55 0.00 -1.23 -5.02 105.19 119.44 1a6x n GLY 112 Ca 0.55 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 1a6x n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6x s ASP 113 N -1.51 7.21 0.48 1.61 1.11 0.18 -4.78 116.67 120.97 1a6x s ASP 113 Ca 0.00 1.43 -0.24 0.00 0.18 0.00 0.00 52.55 53.92 1a6x s ASP 113 Cb 0.00 -2.43 -0.07 0.00 1.07 0.00 0.00 42.92 41.49 1a6x s ASP 113 CO 0.00 0.19 1.35 -0.89 1.18 0.00 0.00 175.17 177.00 1a6x s THR 114 N -0.88 2.31 -0.07 -1.27 2.01 -1.26 -0.92 115.64 115.55 1a6x s THR 114 Ca 0.33 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.62 1a6x s THR 114 Cb -0.21 -3.14 -0.07 0.00 0.01 0.00 0.00 72.50 69.09 1a6x s THR 114 CO 0.22 0.02 -0.02 -0.11 -0.69 0.00 0.00 174.62 174.05 1a6x n LEU 115 N -0.46 1.18 0.00 4.42 7.94 0.41 -4.70 117.00 125.79 1a6x n LEU 115 Ca 0.07 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1a6x n LEU 115 Cb 0.44 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1a6x n LEU 115 CO 0.55 0.36 0.00 0.00 -1.11 0.00 0.00 177.39 177.18 1a6x s ILE 117 N -2.67 1.72 -0.10 0.00 1.01 -0.54 0.26 121.20 120.87 1a6x s ILE 117 Ca 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 60.65 58.40 1a6x s ILE 117 Cb 0.00 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.44 1a6x s ILE 117 CO 0.00 -0.57 0.22 -0.69 0.00 0.00 0.00 174.94 173.90 1a6x s VAL 118 N -2.98 -0.18 -0.04 2.92 1.01 0.13 -0.31 120.40 120.95 1a6x s VAL 118 Ca 0.23 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1a6x s VAL 118 Cb -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1a6x s VAL 118 CO 0.07 0.09 0.78 -0.70 0.00 0.00 0.00 175.10 175.34 1a6x s GLU 119 N 1.71 4.48 0.00 2.72 2.12 0.75 -0.08 118.70 130.40 1a6x s GLU 119 Ca -0.05 1.04 -0.27 0.00 0.36 0.00 0.00 54.97 56.06 1a6x s GLU 119 Cb -0.11 -3.44 0.06 0.00 0.26 0.00 0.00 34.13 30.90 1a6x s GLU 119 CO -0.08 0.06 0.60 0.00 -0.54 0.00 0.00 175.26 175.30 1a6x s ALA 120 N 0.75 -1.55 -1.58 6.30 0.00 0.11 -0.82 121.76 124.97 1a6x s ALA 120 Ca 0.41 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1a6x s ALA 120 Cb -0.19 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1a6x s ALA 120 CO 0.21 -0.44 0.00 -1.33 0.00 0.00 0.00 175.76 174.21 1a6x n MET 121 N 0.68 -1.37 -2.88 0.00 2.81 -1.26 0.08 117.12 115.18 1a6x n MET 121 Ca -0.19 0.89 -0.09 0.00 -1.81 0.00 0.00 57.70 56.51 1a6x n MET 121 Cb 0.59 -5.17 0.03 0.00 -0.71 0.00 0.00 33.22 27.96 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a6x n LYS 122 N -1.90 -2.91 -3.58 0.03 4.81 -1.26 -5.03 118.16 108.32 1a6x n LYS 122 Ca -0.15 0.32 -0.17 0.00 -0.87 0.00 0.00 58.31 57.44 1a6x n LYS 122 Cb 0.51 -3.81 -0.07 0.00 0.02 0.00 0.00 35.03 31.68 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1a6x s MET 123 N -5.44 0.97 0.17 1.64 -1.94 0.11 -5.15 119.30 109.67 1a6x s MET 123 Ca 0.21 0.12 -0.30 0.00 -1.71 0.00 0.00 55.69 54.01 1a6x s MET 123 Cb -0.09 0.45 -0.08 0.00 2.01 0.00 0.00 34.83 37.12 1a6x s MET 123 CO 0.26 -0.30 1.16 0.00 -0.01 0.00 0.00 175.02 176.13 1a6x s MET 124 N -1.32 4.53 -0.28 2.03 0.23 -1.26 -0.71 119.30 122.51 1a6x s MET 124 Ca -0.11 1.80 -0.01 0.00 -1.03 0.00 0.00 55.69 56.34 1a6x s MET 124 Cb -0.01 -3.26 0.09 0.00 -1.53 0.00 0.00 34.83 30.11 1a6x s MET 124 CO 0.08 -0.03 0.08 -0.80 -2.03 0.00 0.00 175.02 172.31 1a6x s ASN 125 N 0.10 3.74 0.77 -1.18 0.01 0.89 -4.93 114.94 114.35 1a6x s ASN 125 Ca 0.52 -1.41 -0.12 0.00 -0.71 0.00 0.00 52.86 51.13 1a6x s ASN 125 Cb -0.31 -0.78 0.06 0.00 0.41 0.00 0.00 41.25 40.63 1a6x s ASN 125 CO 0.35 -0.38 1.13 -1.58 -1.51 0.00 0.00 177.10 175.11 1a6x s GLN 126 N 1.70 2.10 -0.20 -0.60 0.74 -1.26 0.22 119.66 122.35 1a6x s GLN 126 Ca 0.07 1.41 0.01 0.00 0.05 0.00 0.00 55.36 56.90 1a6x s GLN 126 Cb -0.17 -1.86 0.04 0.00 1.10 0.00 0.00 33.01 32.11 1a6x s GLN 126 CO -0.22 -1.80 -0.13 0.42 -0.55 0.00 0.00 175.29 173.01 1a6x s ILE 127 N -2.55 1.84 -0.13 -2.34 -1.09 0.14 -4.81 121.20 112.25 1a6x s ILE 127 Ca 0.66 -1.07 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 1a6x s ILE 127 Cb -0.21 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 1a6x s ILE 127 CO 0.51 0.26 0.45 -1.83 -1.23 0.00 0.00 174.94 173.10 1a6x s GLU 128 N 1.32 4.32 0.36 2.79 1.03 -1.26 -0.44 118.70 126.82 1a6x s GLU 128 Ca -0.00 0.39 -0.24 0.00 0.03 0.00 0.00 54.97 55.14 1a6x s GLU 128 Cb -0.16 -3.44 -0.14 0.00 -0.80 0.00 0.00 34.13 29.60 1a6x s GLU 128 CO -0.09 0.16 0.63 0.00 -1.33 0.00 0.00 175.26 174.63 1a6x n ALA 129 N 3.69 -1.47 -1.04 -0.84 0.00 -0.10 -4.86 120.51 115.89 1a6x n ALA 129 Ca -0.08 0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1a6x n ALA 129 Cb 0.52 -1.79 0.09 0.00 0.00 0.00 0.00 19.45 18.27 1a6x n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a6x n ASP 130 N 1.40 1.87 0.00 0.00 -0.08 -1.26 -3.54 116.55 114.94 1a6x n ASP 130 Ca 0.12 -2.69 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 1a6x n ASP 130 Cb 0.36 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1a6x n LYS 131 N -1.04 0.00 -1.23 -0.67 4.81 -1.26 -5.03 118.16 113.75 1a6x n LYS 131 Ca 0.11 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.16 1a6x n LYS 131 Cb 0.59 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.64 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a6x n SER 132 N 0.00 -3.33 0.00 3.14 3.41 -1.26 -4.88 113.62 110.70 1a6x n SER 132 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1a6x n SER 132 Cb 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 133 N 2.38 -1.50 2.04 5.00 0.00 -0.03 -4.97 105.19 108.10 1a6x n GLY 133 Ca 0.09 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1a6x n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6x n THR 134 N 2.81 0.00 -2.88 2.61 -1.04 -1.18 -0.55 114.28 114.05 1a6x n THR 134 Ca 0.00 -1.17 -0.40 0.00 -2.04 0.00 0.00 64.05 60.44 1a6x n THR 134 Cb 0.00 -0.25 -0.06 0.00 -1.82 0.00 0.00 70.33 68.20 1a6x n THR 134 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1a6x s VAL 135 N -1.45 4.32 -0.04 12.58 0.11 -1.21 -0.14 120.40 134.56 1a6x s VAL 135 Ca 0.17 1.86 -0.01 0.00 -2.93 0.00 0.00 61.98 61.07 1a6x s VAL 135 Cb -0.01 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.60 1a6x s VAL 135 CO 0.11 0.48 -0.05 0.29 -3.33 0.00 0.00 175.10 172.60 1a6x n LYS 136 N 1.81 0.09 0.00 1.54 4.76 0.23 -4.47 118.16 122.12 1a6x n LYS 136 Ca -0.03 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a6x n LYS 136 Cb 0.48 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a6x n ALA 137 N -2.99 0.00 -2.82 7.82 0.00 -0.07 -4.97 120.51 117.47 1a6x n ALA 137 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 1a6x n ALA 137 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1a6x n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6x s ILE 138 N -1.05 4.81 -0.25 0.00 -1.09 -1.26 0.10 121.20 122.45 1a6x s ILE 138 Ca 0.00 -0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.38 1a6x s ILE 138 Cb 0.00 -3.18 -0.17 0.00 -1.58 0.00 0.00 42.46 37.53 1a6x s ILE 138 CO 0.00 0.44 -0.21 0.18 -1.23 0.00 0.00 174.94 174.12 1a6x n LEU 139 N 3.71 2.75 -4.84 2.97 4.77 -0.78 -4.96 117.00 120.62 1a6x n LEU 139 Ca -0.16 -0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.47 1a6x n LEU 139 Cb 0.52 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1a6x n LEU 139 CO 0.35 0.86 0.50 0.54 -1.33 0.00 0.00 177.39 178.31 1a6x s VAL 140 N -2.52 4.58 0.46 4.08 0.11 -0.70 -5.06 120.40 121.36 1a6x s VAL 140 Ca -0.35 1.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.90 1a6x s VAL 140 Cb 0.10 -3.61 0.02 0.00 -1.53 0.00 0.00 36.38 31.35 1a6x s VAL 140 CO 0.59 -0.26 0.52 -0.70 -3.33 0.00 0.00 175.10 171.92 1a6x s GLU 141 N -3.12 2.54 -0.80 1.54 2.12 -1.26 -4.97 118.70 114.74 1a6x s GLU 141 Ca 0.57 -1.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.11 1a6x s GLU 141 Cb -0.10 -2.51 0.04 0.00 0.26 0.00 0.00 34.13 31.83 1a6x s GLU 141 CO 0.17 -0.40 1.29 -1.54 -0.54 0.00 0.00 175.26 174.24 1a6x s SER 142 N -4.32 6.26 0.00 -1.70 1.04 -1.26 -2.74 113.70 110.98 1a6x s SER 142 Ca 0.51 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1a6x s SER 142 Cb -0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1a6x s SER 142 CO 0.31 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1a6x n GLY 143 N 5.74 1.80 3.77 7.32 0.00 1.00 -4.89 105.19 119.93 1a6x n GLY 143 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1a6x n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a6x s GLN 144 N -0.07 3.31 0.77 1.61 1.11 -1.11 -4.67 119.66 120.61 1a6x s GLN 144 Ca 0.00 1.59 -0.11 0.00 0.01 0.00 0.00 55.36 56.85 1a6x s GLN 144 Cb 0.00 -2.00 0.05 0.00 -1.01 0.00 0.00 33.01 30.05 1a6x s GLN 144 CO 0.00 -0.88 1.09 -1.25 0.01 0.00 0.00 175.29 174.26 1a6x s PRO 145 N -3.35 2.29 0.05 2.91 0.04 -1.26 -0.77 135.00 134.90 1a6x s PRO 145 Ca 0.72 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.44 1a6x s PRO 145 Cb -0.24 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1a6x s PRO 145 CO 0.28 -1.50 0.04 0.14 0.04 0.00 0.00 177.00 176.00 1a6x s VAL 146 N -3.13 0.18 0.03 -0.36 -7.23 0.49 -4.72 120.40 105.67 1a6x s VAL 146 Ca 0.60 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1a6x s VAL 146 Cb -0.14 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1a6x s VAL 146 CO 0.54 -0.82 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.80 1a6x s GLU 147 N -3.51 0.46 0.34 4.82 2.12 -1.26 -1.44 118.70 120.23 1a6x s GLU 147 Ca 0.03 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 1a6x s GLU 147 Cb 0.05 0.16 -0.11 0.00 0.26 0.00 0.00 34.13 34.49 1a6x s GLU 147 CO -0.09 -0.09 1.52 0.12 -0.54 0.00 0.00 175.26 176.19 1a6x s PHE 148 N -2.47 2.68 0.00 5.30 2.19 -1.26 -1.08 117.98 123.34 1a6x s PHE 148 Ca -0.07 1.01 0.00 0.00 0.33 0.00 0.00 56.93 58.21 1a6x s PHE 148 Cb -0.03 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 1a6x s PHE 148 CO -0.05 -3.20 0.00 -0.40 1.83 0.00 0.00 175.22 173.41 1a6x n ASP 149 N 1.24 0.00 -4.85 6.13 5.68 -1.25 -5.01 116.55 118.49 1a6x n ASP 149 Ca 0.04 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.98 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a6x s GLU 150 N -0.25 3.95 0.64 0.11 2.02 -0.24 -4.92 118.70 120.02 1a6x s GLU 150 Ca 0.00 0.45 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 1a6x s GLU 150 Cb 0.00 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 1a6x s GLU 150 CO 0.00 0.51 1.05 -1.25 0.02 0.00 0.00 175.26 175.59 1a6x s PRO 151 N -1.88 3.15 0.00 0.39 0.04 -1.26 0.23 135.00 135.67 1a6x s PRO 151 Ca 0.36 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1a6x s PRO 151 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1a6x s PRO 151 CO 0.19 -0.94 0.00 1.28 0.04 0.00 0.00 177.00 177.57 1a6x n LEU 152 N -2.61 0.00 -4.32 -3.56 4.77 0.50 -4.64 117.00 107.15 1a6x n LEU 152 Ca 0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 1a6x n LEU 152 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1a6x n LEU 152 CO 0.52 0.00 -0.56 -0.69 -1.33 0.00 0.00 177.39 175.33 1a6x s VAL 153 N 0.00 2.01 -0.26 4.08 1.01 -1.23 -1.72 120.40 124.29 1a6x s VAL 153 Ca 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 1a6x s VAL 153 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1a6x s VAL 153 CO 0.00 0.34 0.11 -0.69 0.00 0.00 0.00 175.10 174.86 1a6x s VAL 154 N -0.79 4.66 0.31 2.92 1.01 0.28 -0.41 120.40 128.37 1a6x s VAL 154 Ca 0.11 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1a6x s VAL 154 Cb -0.10 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1a6x s VAL 154 CO 0.02 0.32 0.29 -0.63 0.00 0.00 0.00 175.10 175.09 1a6x s ILE 155 N 1.59 3.93 -2.29 2.22 1.09 0.50 -0.60 121.20 127.65 1a6x s ILE 155 Ca 0.06 -1.32 0.18 0.00 -1.10 0.00 0.00 60.65 58.48 1a6x s ILE 155 Cb -0.15 -3.30 0.14 0.00 -1.06 0.00 0.00 42.46 38.09 1a6x s ILE 155 CO 0.06 -0.23 1.08 1.21 -0.10 0.00 0.00 174.94 176.96